(Q77411259)

English

1-a-Linolenoyl-2-homo-g-linolenoyl-3-eicsoatetraenoyl-glycerol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-alpha-linolenoyl 2-acylglycerolipid

1 reference

based on heuristic

inferred from SMILES

mass

926.736340856 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₆₁H₉₈O₆

0 references

canonical SMILES

CCC=CCC=CCC=CCC=CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCC=CCC)OC(=O)CCCCCCC=CCC=CCC=CCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC

0 references

Identifiers

InChI

InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-34,36-37,58H,4-6,8,11,13-15,22-24,30-31,35,38-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-/t58-/m0/s1

0 references

InChIKey

RDQYCYWWDALJMG-XPDHTZGASA-N

0 references

PubChem CID

131765804

1 reference

matched by identifier from

InChIKey

RDQYCYWWDALJMG-XPDHTZGASA-N

1 reference

Human Metabolome Database ID

HMDB0055276

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RDQYCYWWDALJMG-XPDHTZGASA-N

2 references

https://www.swisslipids.org/#/downloads

retrieved

6 November 2021

matched by identifier from

InChIKey

RDQYCYWWDALJMG-XPDHTZGASA-N

(Q77411259)

1-a-Linolenoyl-2-homo-g-linolenoyl-3-eicsoatetraenoyl-glycerol

Statements

Identifiers

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